tert-butyl N-(3-azido-2-hydroxypropyl)carbamate

C8H16N4O3 — CID 58981724

IUPACtert-butyl N-(3-azido-2-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CN=[N+]=[N-]
InChIInChI=1S/C8H16N4O3/c1-8(2,3)15-7(14)10-4-6(13)5-11-12-9/h6,13H,4-5H2,1-3H3,(H,10,14)
InChIKeyWYCMAYPICXTAGB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.18
Rot. Bonds4

About tert-butyl N-(3-azido-2-hydroxypropyl)carbamate

tert-butyl N-(3-azido-2-hydroxypropyl)carbamate (PubChem CID 58981724) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is tert-butyl N-(3-azido-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-azido-2-hydroxypropyl)carbamate
PubChem CID58981724
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Nametert-butyl N-(3-azido-2-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CN=[N+]=[N-]
InChIInChI=1S/C8H16N4O3/c1-8(2,3)15-7(14)10-4-6(13)5-11-12-9/h6,13H,4-5H2,1-3H3,(H,10,14)
InChIKeyWYCMAYPICXTAGB-UHFFFAOYSA-N
XLogP1.18
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
tert-butyl N-(2-azidobutyl)carbamate
CID 58080290
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
tert-butyl N-(9-azidononyl)carbamate
CID 138393789
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-azido-2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-azido-2-hydroxypropyl)carbamate (CID 58981724) is tert-butyl N-(3-azido-2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-azido-2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-azido-2-hydroxypropyl)carbamate is CC(C)(C)OC(=O)NCC(O)CN=[N+]=[N-].
What is the InChIKey of tert-butyl N-(3-azido-2-hydroxypropyl)carbamate?
The InChIKey is WYCMAYPICXTAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-8(2,3)15-7(14)10-4-6(13)5-11-12-9/h6,13H,4-5H2,1-3H3,(H,10,14).
What are the key properties of tert-butyl N-(3-azido-2-hydroxypropyl)carbamate?
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate has a molecular weight of 216.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-azido-2-hydroxypropyl)carbamate is sourced from PubChem (CID 58981724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).